methyl 2-[[6-[(1-thiophen-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[(1-thiophen-2-ylcarbonylpyrrolidin-2-yl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[1-(2-thenoyl)prolyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C20H19N3O4S3 MolecularWeight: 461.57756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C20H19N3O4S3/c1-27-17(24)11-29-20-22-13-7-6-12(10-16(13)30-20)21-18(25)14-4-2-8-23(14)19(26)15-5-3-9-28-15/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,21,25)